N-[2-(4-ethylphenoxy)ethyl]aniline

C16H19NO — CID 54796136

IUPACN-[2-(4-ethylphenoxy)ethyl]aniline
SMILESCCc1ccc(OCCNc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-2-14-8-10-16(11-9-14)18-13-12-17-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3
InChIKeyLPIJNLCOLFFHMJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.74
Rot. Bonds6

About N-[2-(4-ethylphenoxy)ethyl]aniline

N-[2-(4-ethylphenoxy)ethyl]aniline (PubChem CID 54796136) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]aniline
PubChem CID54796136
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]aniline
SMILESCCc1ccc(OCCNc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-2-14-8-10-16(11-9-14)18-13-12-17-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3
InChIKeyLPIJNLCOLFFHMJ-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800211
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
N-[3-(4-ethylphenoxy)propyl]-4-methylaniline
CID 82096367
N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
CID 62572127
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline
CID 21031130
4-(2-anilinoethoxy)benzonitrile
CID 134030846
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline
CID 107668654
N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline
CID 82096656
N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
CID 75531601
N-[4-(4-methylphenoxy)butyl]aniline
CID 82096490
2-(2-ethoxyethoxy)-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54801716

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]aniline?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]aniline (CID 54796136) is N-[2-(4-ethylphenoxy)ethyl]aniline.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]aniline?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]aniline is CCc1ccc(OCCNc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]aniline?
The InChIKey is LPIJNLCOLFFHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-14-8-10-16(11-9-14)18-13-12-17-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3.
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]aniline?
N-[2-(4-ethylphenoxy)ethyl]aniline has a molecular weight of 241.33 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]aniline is sourced from PubChem (CID 54796136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).